LMST04020037
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.3669    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142    7.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3669    7.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    7.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    7.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253    7.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    8.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724   10.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779   10.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0835    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0835   10.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1308   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779   11.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    9.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1308   11.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349   12.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8930   12.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6553   11.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4174   12.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9395    7.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3196    6.8897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1795   11.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253    9.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2516    8.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779    8.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7477   11.2773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1308   12.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0455   12.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9115   11.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0455   13.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  1 10  1  0     0  0
  5 10  1  0     0  0
  9 10  1  0     0  0
  8 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  1     0  0
 10 19  1  1     0  0
 20 21  1  6     0  0
  3 25  1  6     0  0
  6 26  1  1     0  0
  7 27  1  6     0  0
  5 28  1  1     0  0
 24 29  1  0     0  0
  8 30  1  1     0  0
  9 31  1  6     0  0
 14 32  1  6     0  0
 17 33  1  6     0  0
 20 34  1  1     0  0
 29 35  1  0     0  0
 35 36  1  0     0  0
 35 37  2  0     0  0
M  END
> <LM_ID>
LMST04020037

> <COMMON_NAME>
Dihomo-alpha-muricholic acid

> <SYSTEMATIC_NAME>
24-dihomo-3alpha,6beta,7alpha-trihydroxy-5beta-cholan-26-oic acid

> <FORMULA>
C26H44O5

> <MASS>
436.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C26 bile acids, alcohols, and derivatives [ST0402]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AYIHMMDCOCFTKB-QQXJNSDFSA-N

> <INCHI>
InChI=1S/C26H44O5/c1-15(6-4-5-7-21(28)29)17-8-9-18-22-19(11-13-25(17,18)2)26(3)12-10-16(27)14-20(26)23(30)24(22)31/h15-20,22-24,27,30-31H,4-14H2,1-3H3,(H,28,29)/t15-,16-,17-,18+,19+,20+,22+,23+,24+,25-,26-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCCC(=O)O)CC[C@@]4([H])[C@]3([H])[C@H](O)[C@@H](O)[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 26:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
118701760

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$